4-[2-(4-fluoranylphenoxy)ethyl]-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[2-(4-fluoranylphenoxy)ethyl]-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-[2-(4-fluorophenoxy)ethyl]-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-[2-(4-fluorophenoxy)ethyl]-1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[2-(4-fluorophenoxy)ethyl]-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-[2-(4-fluorophenoxy)ethyl]-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-1,4-diazepan-1-ium-5-one Formula: C23H26FN4O2+ MolecularWeight: 409.476543

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1=O)CCOC2=CC=C(C=C2)F)CC3=CC=CN3C4=CC=CC=N4

Isomeric SMILES

C1C[NH+](CCN(C1=O)CCOC2=CC=C(C=C2)F)CC3=CC=CN3C4=CC=CC=N4

InChI

InChI=1S/C23H25FN4O2/c24-19-6-8-21(9-7-19)30-17-16-27-15-14-26(13-10-23(27)29)18-20-4-3-12-28(20)22-5-1-2-11-25-22/h1-9,11-12H,10,13-18H2/p+1